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DOE OSTI · 1185098

Materials Data on Ce(P3Ru)4 by Materials Project

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Abstract

CeRu4P12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ce3+ is bonded to twelve equivalent P1- atoms to form CeP12 cuboctahedra that share faces with eight equivalent RuP6 octahedra. All Ce–P bond lengths are 3.11 Å. Ru+2.25+ is bonded to six equivalent P1- atoms to form RuP6 octahedra that share corners with six equivalent RuP6 octahedra and faces with two equivalent CeP12 cuboctahedra. The corner-sharing octahedral tilt angles are 62°. All Ru–P bond lengths are 2.36 Å. P1- is bonded in a 5-coordinate geometry to one Ce3+, two equivalent Ru+2.25+, and two equivalent P1- atoms. There are one shorter (2.32 Å) and one longer (2.33 Å) P–P bond lengths.

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36 MATERIALS SCIENCECe(P3Ru)4Ce-P-Rucrystal structure

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2020-07-14. Materials Data on Ce(P3Ru)4 by Materials Project. https://doi.org/10.17188/1185098

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